8-[[3-[1-[(2-methylphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[1-[(2-methylphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-(o-tolylcarbamoyl)propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[1-(2-methylanilino)-1-oxobutan-2-yl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-(2-methylanilino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-(o-tolylcarbamoyl)propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C29H26N2O4S MolecularWeight: 498.59274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C)SC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C)SC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

InChI=1S/C29H26N2O4S/c1-3-25(28(33)31-24-16-5-4-9-18(24)2)36-21-13-8-12-20(17-21)30-27(32)22-14-6-10-19-11-7-15-23(26(19)22)29(34)35/h4-17,25H,3H2,1-2H3,(H,30,32)(H,31,33)(H,34,35)